SCHEMBL12499299

SCHEMBL12499299

Cn1nccc1NC(=N)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
OXTR P30559 2/20 0.38
AVPR1A P37288 2/20 0.38
RAB9A P51151 2/20 0.38
HPGDS O60760 1/20 0.36
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9523223 0.81 KMT2A (0.55) KMT2APOLBHSP90AA1HSP90AB1OXTR
SCHEMBL21587681 0.79 KMT2A (0.46) KMT2APOLBHSP90AA1HSP90AB1OXTR
SCHEMBL18410063 0.79 KMT2A (0.46) KMT2APOLBHSP90AA1HSP90AB1OXTR
SCHEMBL49946 0.78 KMT2A (0.57) KMT2APOLBHSP90AA1HSP90AB1OXTR
SCHEMBL24650964 0.75 KMT2A (0.43) KMT2APOLBHSP90AA1HSP90AB1OXTR
SCHEMBL20865860 0.75 KMT2A (0.43) KMT2APOLBHSP90AA1HSP90AB1OXTR
SCHEMBL22303034 0.74 KMT2A (0.53) KMT2APOLBHSP90AA1HSP90AB1OXTR
SCHEMBL3268236 0.74 KMT2A (0.57) KMT2APOLBHSP90AA1HSP90AB1OXTR
SCHEMBL26789473 0.74 POLB (0.59) KMT2APOLBHSP90AA1HSP90AB1OXTR
SCHEMBL1682443 0.74

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230046093-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF FORMULA (I) ASTRAZENECA AB (SE) 2023-02-16 US disclosed
US-20210188868-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOMED HOLDINGS LTD. (KY) 2021-06-24 US disclosed
EP-3077401-B1 SERINE/THREONINE KINASE INHIBITORS GENENTECH INC (US) 2018-04-18 EP disclosed
EP-2681215-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-08 EP disclosed
WO-2012118850-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-09-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230046093-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF FORMULA (I) CYP2F1, CYP11B1, CYP4F11 KMT2A 4222/4885POLB 1179/4885HSP90AA1 2665/4885
US-20210188868-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF MAP3K11, MAP3K13, MAP3K1 KMT2A 1303/4885POLB 2479/4885HSP90AA1 1859/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.